CID 175825067

C22H29N5NaO3S — CID 175825067

IUPAC—
SMILESCC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na]
InChIInChI=1S/C22H29N5O3S.Na/c1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h12-14H,3-11H2,1-2H3,(H2,23,25,28);
InChIKeyRXMWLYRMCSWNMF-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.29
Rot. Bonds5

About CID 175825067

CID 175825067 (PubChem CID 175825067) has the molecular formula C22H29N5NaO3S and a molecular weight of 466.56 g/mol.

Molecular Properties

Compound NameCID 175825067
PubChem CID175825067
Molecular FormulaC22H29N5NaO3S
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC Name—
SMILESCC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na]
InChIInChI=1S/C22H29N5O3S.Na/c1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h12-14H,3-11H2,1-2H3,(H2,23,25,28);
InChIKeyRXMWLYRMCSWNMF-UHFFFAOYSA-N
XLogP2.29
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 158124353
5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazole-3-sulfonamide;1-[5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 161229298
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide
CID 137499517
CID 175825031
CID 175825031
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea
CID 151762647
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
CID 142587969
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 137499616
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783935
CID 175753183
CID 175753183

Frequently Asked Questions

What is the IUPAC name of CID 175825067?
The IUPAC name of CID 175825067 (CID 175825067) is not available.
What is the SMILES notation for CID 175825067?
The canonical SMILES for CID 175825067 is CC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na].
What is the InChIKey of CID 175825067?
The InChIKey is RXMWLYRMCSWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S.Na/c1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h12-14H,3-11H2,1-2H3,(H2,23,25,28);.
What are the key properties of CID 175825067?
CID 175825067 has a molecular weight of 466.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175825067 is sourced from PubChem (CID 175825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).